2-(ethylaminomethyl)-2-hydroxybutanoic acid

C7H15NO3 — CID 88670501

IUPAC2-(ethylaminomethyl)-2-hydroxybutanoic acid
SMILESCCNCC(O)(CC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-7(11,6(9)10)5-8-4-2/h8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyXBJMSYIFCPADMS-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds5

About 2-(ethylaminomethyl)-2-hydroxybutanoic acid

2-(ethylaminomethyl)-2-hydroxybutanoic acid (PubChem CID 88670501) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(ethylaminomethyl)-2-hydroxybutanoic acid
PubChem CID88670501
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(ethylaminomethyl)-2-hydroxybutanoic acid
SMILESCCNCC(O)(CC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-7(11,6(9)10)5-8-4-2/h8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyXBJMSYIFCPADMS-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-(ethylaminomethyl)-2-hydroxybutanoic acid (CID 88670501) is 2-(ethylaminomethyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-(ethylaminomethyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-(ethylaminomethyl)-2-hydroxybutanoic acid is CCNCC(O)(CC)C(=O)O.
What is the InChIKey of 2-(ethylaminomethyl)-2-hydroxybutanoic acid?
The InChIKey is XBJMSYIFCPADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-7(11,6(9)10)5-8-4-2/h8,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(ethylaminomethyl)-2-hydroxybutanoic acid?
2-(ethylaminomethyl)-2-hydroxybutanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 88670501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).